Reaction Details Report a problem with these data
Target
Cytochrome P450 2C9
Ligand
BDBM50448621
Substrate
n/a
Meas. Tech.
ChEMBL_1296347 (CHEMBL3129757)
IC50
720±n/a nM
Citation
 Giannetti, AM; Zheng, X; Skelton, NJ; Wang, W; Bravo, BJ; Bair, KW; Baumeister, T; Cheng, E; Crocker, L; Feng, Y; Gunzner-Toste, J; Ho, YC; Hua, R; Liederer, BM; Liu, Y; Ma, X; O'Brien, T; Oeh, J; Sampath, D; Shen, Y; Wang, C; Wang, L; Wu, H; Xiao, Y; Yuen, PW; Zak, M; Zhao, G; Zhao, Q; Dragovich, PS Fragment-based identification of amides derived from trans-2-(pyridin-3-yl)cyclopropanecarboxylic acid as potent inhibitors of human nicotinamide phosphoribosyltransferase (NAMPT). J Med Chem 57:770-92 (2014) [PubMed]  Article 
Target
Name:
Cytochrome P450 2C9
Synonyms:
(R)-limonene 6-monooxygenase | (S)-limonene 6-monooxygenase | CP2C9_HUMAN | CYP2C10 | CYP2C9 | CYPIIC9 | Cytochrome P450 2C9 (CYP2C9 ) | Cytochrome P450 2C9 (CYP2C9) | P-450MP | P450 MP-4/MP-8 | P450 PB-1 | S-mephenytoin 4-hydroxylase
Type:
Enzyme
Mol. Mass.:
55636.33
Organism:
Homo sapiens (Human)
Description:
P11712
Residue:
490
Sequence:
MDSLVVLVLCLSCLLLLSLWRQSSGRGKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVVLHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRFSLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCNVICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYFPGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKHNQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEEIERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKFRNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFMPFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGFASVPPFYQLCFIPV
  
Inhibitor
Name:
BDBM50448621
Synonyms:
CHEMBL3127521
Type:
Small organic molecule
Emp. Form.:
C21H18N2O3S
Mol. Mass.:
378.444
SMILES:
O=C(Nc1ccc(cc1)S(=O)(=O)c1ccccc1)[C@H]1C[C@@H]1c1cccnc1 |r|
Structure:
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